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3-(4-氟苯基)咪唑并[1,2-α]吡啶-2-甲醛

3-(4-Fluoro-phen-yl)imidazo[1,2-]pyridine-2-carbaldehyde.

作者信息

Guseinov Firudin I, Samigullina Aida I, Hökelek Tuncer, Hamidov Sahil Z, Lasri Jamal, Hasanov Khudayar I, Guliyeva Narmina A, Belay Alebel N

机构信息

Kosygin State University of Russia, 117997 Moscow, Russian Federation.

N. D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, 119991 Moscow, Russian Federation.

出版信息

IUCrdata. 2025 Jun 24;10(Pt 6):x250553. doi: 10.1107/S241431462500553X. eCollection 2025 Jun.

DOI:10.1107/S241431462500553X
PMID:40630056
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12230593/
Abstract

In the title compound, CHFNO, the dihedral angle between the imidazo-pyridine fused ring system and the pendant fluoro-phenyl ring is 53.77 (4)°. In the crystal, C-H⋯O and C-H⋯F hydrogen bonds link the mol-ecules into a three-dimensional network. A Hirshfeld surface analysis of the crystal structure indicates that the most important contributions for the crystal packing are from H⋯H (30.4%), H⋯C/C⋯H (23.7%), H⋯O/O⋯H (12.2%) and H⋯F/F⋯H (11.1%) inter-actions.

摘要

在标题化合物CHFNO中,咪唑并吡啶稠环体系与悬垂氟苯环之间的二面角为53.77 (4)°。在晶体中,C—H⋯O和C—H⋯F氢键将分子连接成三维网络。晶体结构的 Hirshfeld 表面分析表明,晶体堆积的最重要贡献来自H⋯H(30.4%)、H⋯C/C⋯H(23.7%)、H⋯O/O⋯H(12.2%)和H⋯F/F⋯H(11.1%)相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea62/12230593/d0ded6b0b058/x-10-x250553-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea62/12230593/f5534c03a3e5/x-10-x250553-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea62/12230593/afde66218b06/x-10-x250553-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea62/12230593/36ecddb10259/x-10-x250553-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea62/12230593/d0ded6b0b058/x-10-x250553-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea62/12230593/f5534c03a3e5/x-10-x250553-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea62/12230593/afde66218b06/x-10-x250553-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea62/12230593/36ecddb10259/x-10-x250553-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea62/12230593/d0ded6b0b058/x-10-x250553-fig4.jpg

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本文引用的文献

1
Recent Progress in Metal-Free Direct Synthesis of Imidazo[1,2-]pyridines.咪唑并[1,2 - ]吡啶的无金属直接合成的最新进展
ACS Omega. 2021 Dec 14;6(51):35173-35185. doi: 10.1021/acsomega.1c03476. eCollection 2021 Dec 28.
2
: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals.用于分子晶体的 Hirshfeld 表面分析、可视化和定量分析的程序。
J Appl Crystallogr. 2021 Apr 27;54(Pt 3):1006-1011. doi: 10.1107/S1600576721002910. eCollection 2021 Jun 1.
3
Towards quantitative analysis of intermolecular interactions with Hirshfeld surfaces.
迈向基于 Hirshfeld 表面的分子间相互作用定量分析
Chem Commun (Camb). 2007 Oct 7(37):3814-6. doi: 10.1039/b704980c.